Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -2.0534    0.4433    0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6219    0.1672    0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1514   -0.0642   -0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3715   -0.0186   -1.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5902   -0.3628   -0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229   -0.4305    0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255   -0.3844   -0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324    1.3759   -0.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7320    0.4335    0.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2086    1.0324    1.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112   -0.7482    1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282   -0.5255   -1.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6873   -0.2667    1.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2766   -0.6515    0.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers